2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine

C10H21FN2 — CID 167068209

IUPAC2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine
SMILESCCC(C)(C)N1CCC(N)CC1F
InChIInChI=1S/C10H21FN2/c1-4-10(2,3)13-6-5-8(12)7-9(13)11/h8-9H,4-7,12H2,1-3H3
InChIKeyDIHRWELKSYBZTR-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.89
Rot. Bonds2

About 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine

2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine (PubChem CID 167068209) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine
PubChem CID167068209
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine
SMILESCCC(C)(C)N1CCC(N)CC1F
InChIInChI=1S/C10H21FN2/c1-4-10(2,3)13-6-5-8(12)7-9(13)11/h8-9H,4-7,12H2,1-3H3
InChIKeyDIHRWELKSYBZTR-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine?
The IUPAC name of 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine (CID 167068209) is 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine is CCC(C)(C)N1CCC(N)CC1F.
What is the InChIKey of 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine?
The InChIKey is DIHRWELKSYBZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-4-10(2,3)13-6-5-8(12)7-9(13)11/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine?
2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine has a molecular weight of 188.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 167068209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).